14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene

C90H48B3F8N5O — CID 170544384

About 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene

14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene (PubChem CID 170544384) has the molecular formula C90H48B3F8N5O and a molecular weight of 1399.83 g/mol. Its IUPAC name is 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene.

Molecular Properties

• Compound Name: 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene
• PubChem CID: 170544384
• Molecular Formula: C90H48B3F8N5O
• Molecular Weight: 1399.83 g/mol
• Exact Mass: 1399.40
• IUPAC Name: 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene
• SMILES: Fc1cc(F)cc(N2c3ccc(-c4ccccc4)cc3B3c4cc5c(cc4N(c4cc(F)cc(F)c4)c4cccc2c43)N(c2cc(F)cc(F)c2)c2cc3c4c6c2B5c2cc(-c5ccccc5)cc5c2N6c2c(cc(-c6ccccc6)cc2B4c2cc(-c4ccccc4)ccc2N3c2cc(F)cc(F)c2)O5)c1
• InChI: InChI=1S/C90H48B3F8N5O/c94-57-34-58(95)39-65(38-57)102-75-26-24-53(49-14-5-1-6-15-49)28-69(75)91-71-46-72-80(47-79(71)104(67-42-61(98)36-62(99)43-67)78-23-13-22-77(102)85(78)91)105(68-44-63(100)37-64(101)45-68)82-48-81-86-90-87(82)93(72)74-31-56(52-20-11-4-12-21-52)33-84-89(74)106(90)88-73(30-55(32-83(88)107-84)51-18-9-3-10-19-51)92(86)70-29-54(50-16-7-2-8-17-50)25-27-76(70)103(81)66-40-59(96)35-60(97)41-66/h1-48H
• InChIKey: FMSDWNNNZJFZFA-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1399.83
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene?

The IUPAC name of 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene (CID 170544384) is 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene.

What is the SMILES notation for 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene?

The canonical SMILES for 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene is Fc1cc(F)cc(N2c3ccc(-c4ccccc4)cc3B3c4cc5c(cc4N(c4cc(F)cc(F)c4)c4cccc2c43)N(c2cc(F)cc(F)c2)c2cc3c4c6c2B5c2cc(-c5ccccc5)cc5c2N6c2c(cc(-c6ccccc6)cc2B4c2cc(-c4ccccc4)ccc2N3c2cc(F)cc(F)c2)O5)c1.

What is the InChIKey of 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene?

The InChIKey is FMSDWNNNZJFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H48B3F8N5O/c94-57-34-58(95)39-65(38-57)102-75-26-24-53(49-14-5-1-6-15-49)28-69(75)91-71-46-72-80(47-79(71)104(67-42-61(98)36-62(99)43-67)78-23-13-22-77(102)85(78)91)105(68-44-63(100)37-64(101)45-68)82-48-81-86-90-87(82)93(72)74-31-56(52-20-11-4-12-21-52)33-84-89(74)106(90)88-73(30-55(32-83(88)107-84)51-18-9-3-10-19-51)92(86)70-29-54(50-16-7-2-8-17-50)25-27-76(70)103(81)66-40-59(96)35-60(97)41-66/h1-48H.

What are the key properties of 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene?

14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene has a molecular weight of 1399.83 g/mol, XLogP of 18.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene is sourced from PubChem (CID 170544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).